3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide

C19H16ClN3O3S — CID 984966

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-15-6-4-9-18(12-15)27(25,26)23-16-8-3-5-14(11-16)19(24)22-13-17-7-1-2-10-21-17/h1-12,23H,13H2,(H,22,24)
InChIKeyMSMHFHPSRVLNIP-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide

3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 984966) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID984966
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-15-6-4-9-18(12-15)27(25,26)23-16-8-3-5-14(11-16)19(24)22-13-17-7-1-2-10-21-17/h1-12,23H,13H2,(H,22,24)
InChIKeyMSMHFHPSRVLNIP-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 984966) is 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MSMHFHPSRVLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-15-6-4-9-18(12-15)27(25,26)23-16-8-3-5-14(11-16)19(24)22-13-17-7-1-2-10-21-17/h1-12,23H,13H2,(H,22,24).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 401.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).